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Heterocyclic building blocks

Methanopterin

CAS 79484-89-2Formula C30H41N6O16PMolar mass 772.66 g/mol
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Methanopterin chemical structure, C30H41N6O16P, CAS 79484-89-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79484-89-2
Formula
C30H41N6O16P
Molar mass
772.66 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Methanopterin?

Plain description, key identifiers and synonyms

Methanopterin is a member of the class of methanopterins obtained by formal dehydrogenation at positions 5, 6, 7 and 8 of tetrahydromethanopterin. The parent of the class of methanopterins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-(2-amino-7-methyl-4-oxo-3H-pteridin-6-yl)ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
CAS number
79484-89-2 CAS number cross-checked
Molecular formula
C30H41N6O16P
InChIKey
ZHAHWVAVMXKKOA-NKRFXTRVSA-N
InChI
InChI=1S/C30H41N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H3,31,33,35,36,44)/t12-,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1
Canonical SMILES
Cc1nc2nc(N)[nH]c(=O)c2nc1C(C)Nc1ccc(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C2O)cc1
Isomeric SMILES
CC1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H](C)NC3=CC=C(C=C3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
772.66 g/molcalc.
Exact mass
772.2317 Dacalc.
LogP (octanol/water)
-1.68calc.
Topological polar surface area
359.6 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
19calc.
Heavy atoms
53calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1[nH]cnc2ncc(CNc3ccc(CCCCCOC4CCCO4)cc3)nc12

O=c1[nH]cnc2ncc(CNc3ccc(CCCCCOC4CCCO4)cc3)nc12

4 rings, 30 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Methanopterin suppliers

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Methanopterin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methanopterin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Methanopterin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methanopterin, based on the data on this page

What is Methanopterin?

Methanopterin is a member of the class of methanopterins obtained by formal dehydrogenation at positions 5, 6, 7 and 8 of tetrahydromethanopterin. The parent of the class of methanopterins.

What is the CAS number of Methanopterin?

The CAS registry number of Methanopterin is 79484-89-2.

What is the molecular formula and weight of Methanopterin?

The molecular formula of Methanopterin is C30H41N6O16P and its molar mass is 772.66 g/mol.

What is Methanopterin used for?

Known uses and roles of Methanopterin include building blocks in research and laboratory.

Is Methanopterin hazardous?

No GHS hazard classification for Methanopterin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Methanopterin?

Methanopterin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methanopterin?

Post a free request on CompoundList and suppliers of Methanopterin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Methanopterin?

Suppliers quote Methanopterin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Methanopterin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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